(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C22H17NO6/c24-22(19-7-6-14-5-4-13-2-1-3-18(19)20(13)14)28-11-16-9-17(23(25)26)8-15-10-27-12-29-21(15)16/h1-3,6-9H,4-5,10-12H2